1-(2-ethylsulfinylethyl)-8-(furan-2-ylmethyl)-3-(3-methoxypropyl)-7H-purine-2,6-dione

Systemtic Name: 1-(2-ethylsulfinylethyl)-8-(furan-2-ylmethyl)-3-(3-methoxypropyl)-7H-purine-2,6-dione Openeye Name: 1-(2-ethylsulfinylethyl)-8-(2-furylmethyl)-3-(3-methoxypropyl)-7H-purine-2,6-dione CAS Name: 1-(2-ethylsulfinylethyl)-8-(2-furanylmethyl)-3-(3-methoxypropyl)-7H-purine-2,6-dione IUPAC Name: 1-(2-ethylsulfinylethyl)-8-(furan-2-ylmethyl)-3-(3-methoxypropyl)-7H-purine-2,6-dione Traditional Name: 1-(2-ethylsulfinylethyl)-8-(2-furfuryl)-3-(3-methoxypropyl)-7H-purine-2,6-quinone Formula: C18H24N4O5S MolecularWeight: 408.47196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)CCN1C(=O)C2=C(N=C(N2)CC3=CC=CO3)N(C1=O)CCCOC

Isomeric SMILES

CCS(=O)CCN1C(=O)C2=C(N=C(N2)CC3=CC=CO3)N(C1=O)CCCOC

InChI

InChI=1S/C18H24N4O5S/c1-3-28(25)11-8-22-17(23)15-16(21(18(22)24)7-5-9-26-2)20-14(19-15)12-13-6-4-10-27-13/h4,6,10H,3,5,7-9,11-12H2,1-2H3,(H,19,20)